CAS Registry Number: 20780-74-9

Name:

1H-​Indole-​2,​3-​dione, 7-​bromo-
Indole-​2,​3-​dione, 7-​bromo- (8CI); Isatin, 7-​bromo- (6CI); 7-​Bromo-​1H-​indole-​2,​3-​dione; 7-​Bromo-​2,​3-​dioxoindoline; 7-​Bromoindole-​2,​3-​dione; 7-​Bromoindoline-​2,​3-​dione; 7-​Bromoisatin 

Chemical Formula: C8H4BrNO2
Exact Mass: 224.94
Molecular Weight: 226.03
m/z: 224.94 (100.0%), 226.94 (97.3%), 227.94 (8.9%), 225.95 (8.8%)

InChI: InChI=1S/C8H4BrNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChIKey: OCVKSIWBTJCXPV-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C(=C1)Br)NC(=O)C2=O

Specification

98%

1. (1) Nicolaou, K. C.; Journal of the American Chemical Society 2004, V126(40), P12888-12896 CAPLUS
2. (2) Wu, Fe-lin Lin; Chinese Pharmaceutical Journal (Taipei, Taiwan) 2004, V56(2), P97-109 CAPLUS
3. (3) Beauchard, Anne; Bioorganic & Medicinal Chemistry 2009, V17(17), P6257-6263 CAPLUS
4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
5. (5) Singh, Jasbir; Journal of Medicinal Chemistry 2010, V53(1), P18-36 CAPLUS
6. (6) Kaila, Neelu; Journal of Medicinal Chemistry 2007, V50(1), P40-64 CAPLUS
7. (7) Inagaki, Sigenobu; Yakugaku Zasshi 1938, V58, P961-75 CAPLUS
8. (8) Kaila, Neelu; Journal of Medicinal Chemistry 2007, V50(1), P21-39 CAPLUS
9. (9) Cheung, Chi-Ming; Journal of the American Chemical Society 2007, V129(40), P12320-12327 CAPLUS